CID 97948

7-ethyl-2-methyl-4-undecanol

Structural Information

Molecular Formula

C₁₄H₃₀O

SMILES

CCCCC(CC)CCC(CC(C)C)O

InChI

InChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3

InChIKey

JKKBSZCOVNFRCQ-UHFFFAOYSA-N

Compound name

7-ethyl-2-methylundecan-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 195
Patents: 214.22966 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.23694	157.9
[M+Na]+	237.21888	165.9
[M+NH4]+	232.26348	164.7
[M+K]+	253.19282	160.3
[M-H]-	213.22238	156.6
[M+Na-2H]-	235.20433	158.8
[M]+	214.22911	158.4
[M]-	214.23021	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe